2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine

C24H25FN2OS — CID 58303969

IUPAC2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(Cc2cccs2)c2c(F)ccc(OCc3ccccc3)c12
InChIInChI=1S/C24H25FN2OS/c1-26(2)13-12-19-15-27(16-20-9-6-14-29-20)24-21(25)10-11-22(23(19)24)28-17-18-7-4-3-5-8-18/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyQCOYBCTVEKRMNM-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.57
Rot. Bonds8

About 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine

2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine (PubChem CID 58303969) has the molecular formula C24H25FN2OS and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine
PubChem CID58303969
Molecular FormulaC24H25FN2OS
Molecular Weight408.54 g/mol
Exact Mass408.17
IUPAC Name2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(Cc2cccs2)c2c(F)ccc(OCc3ccccc3)c12
InChIInChI=1S/C24H25FN2OS/c1-26(2)13-12-19-15-27(16-20-9-6-14-29-20)24-21(25)10-11-22(23(19)24)28-17-18-7-4-3-5-8-18/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyQCOYBCTVEKRMNM-UHFFFAOYSA-N
XLogP5.57
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine (CID 58303969) is 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(Cc2cccs2)c2c(F)ccc(OCc3ccccc3)c12.
What is the InChIKey of 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is QCOYBCTVEKRMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2OS/c1-26(2)13-12-19-15-27(16-20-9-6-14-29-20)24-21(25)10-11-22(23(19)24)28-17-18-7-4-3-5-8-18/h3-11,14-15H,12-13,16-17H2,1-2H3.
What are the key properties of 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine?
2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 408.54 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-4-phenylmethoxy-1-(thiophen-2-ylmethyl)indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 58303969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).